2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C133H93N9Si3 — CID 160885825

IUPAC2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)ccc2-c2c1c1ccccc1c1ccccc21.c1ccc(-c2nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/2C45H31N3Si.C43H31N3Si/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)44-46-43(33-20-7-2-8-21-33)47-45(48-44)40-30-17-29-38-37-27-15-16-31-41(37)49(42(38)40,34-22-9-3-10-23-34)35-24-11-4-12-25-35;1-5-17-32(18-6-1)37-25-13-14-27-40(37)45-47-43(33-19-7-2-8-20-33)46-44(48-45)34-29-30-39-38-26-15-16-28-41(38)49(42(39)31-34,35-21-9-3-10-22-35)36-23-11-4-12-24-36;1-47(2)38-27-30(25-26-37(38)39-34-22-12-10-20-32(34)33-21-11-13-23-35(33)40(39)47)42-44-41(29-17-7-4-8-18-29)45-43(46-42)36-24-14-9-19-31(36)28-15-5-3-6-16-28/h2*1-31H;3-27H,1-2H3
InChIKeySNPRJSVBSONNNE-UHFFFAOYSA-N
MW1901.53 g/mol
LogP25.44
Rot. Bonds16

About 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 160885825) has the molecular formula C133H93N9Si3 and a molecular weight of 1901.53 g/mol. Its IUPAC name is 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID160885825
Molecular FormulaC133H93N9Si3
Molecular Weight1901.53 g/mol
Exact Mass1899.69
IUPAC Name2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESC[Si]1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)ccc2-c2c1c1ccccc1c1ccccc21.c1ccc(-c2nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/2C45H31N3Si.C43H31N3Si/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)44-46-43(33-20-7-2-8-21-33)47-45(48-44)40-30-17-29-38-37-27-15-16-31-41(37)49(42(38)40,34-22-9-3-10-23-34)35-24-11-4-12-25-35;1-5-17-32(18-6-1)37-25-13-14-27-40(37)45-47-43(33-19-7-2-8-20-33)46-44(48-45)34-29-30-39-38-26-15-16-28-41(38)49(42(39)31-34,35-21-9-3-10-22-35)36-23-11-4-12-24-36;1-47(2)38-27-30(25-26-37(38)39-34-22-12-10-20-32(34)33-21-11-13-23-35(33)40(39)47)42-44-41(29-17-7-4-8-18-29)45-43(46-42)36-24-14-9-19-31(36)28-15-5-3-6-16-28/h2*1-31H;3-27H,1-2H3
InChIKeySNPRJSVBSONNNE-UHFFFAOYSA-N
XLogP25.44
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001901.53
LogP ≤ 525.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787215
2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787192
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787204
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 159472836
2-(5,5-dimethyl-4-phenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2,5,5-triphenylbenzo[b][1]benzosilol-3-yl)-1,3,5-triazine
CID 156661442
2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155787286
2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-1-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[5,5-bis(4-methylphenyl)benzo[b][1]benzosilol-2-yl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 161000518
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787247
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 157083192
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158350356
2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787397

Frequently Asked Questions

What is the IUPAC name of 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 160885825) is 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)ccc2-c2c1c1ccccc1c1ccccc21.c1ccc(-c2nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cccc4c3[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is SNPRJSVBSONNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H31N3Si.C43H31N3Si/c1-5-18-32(19-6-1)36-26-13-14-28-39(36)44-46-43(33-20-7-2-8-21-33)47-45(48-44)40-30-17-29-38-37-27-15-16-31-41(37)49(42(38)40,34-22-9-3-10-23-34)35-24-11-4-12-25-35;1-5-17-32(18-6-1)37-25-13-14-27-40(37)45-47-43(33-19-7-2-8-20-33)46-44(48-45)34-29-30-39-38-26-15-16-28-41(38)49(42(39)31-34,35-21-9-3-10-22-35)36-23-11-4-12-24-36;1-47(2)38-27-30(25-26-37(38)39-34-22-12-10-20-32(34)33-21-11-13-23-35(33)40(39)47)42-44-41(29-17-7-4-8-18-29)45-43(46-42)36-24-14-9-19-31(36)28-15-5-3-6-16-28/h2*1-31H;3-27H,1-2H3.
What are the key properties of 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 1901.53 g/mol, XLogP of 25.44, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(21,21-dimethyl-21-silapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160885825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).